| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394298 | Computational and Theoretical Chemistry | 2013 | 9 Pages |
Abstract
⺠Convergent behavior is observed with respect to the basis set and level of theory. ⺠PECs of five Î-S and 10 Ω states are calculated. ⺠Spectroscopic parameters of five Î-S and 10 Ω states are obtained. ⺠Effect on the PECs by core-valence correlation and relativistic corrections is discussed. ⺠Calculated spectroscopic parameters achieve high quality.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zunlue Zhu, Xianghong Niu, Deheng Shi, Jinfeng Sun,